Vitas-M small molecule compound
N-(2-fluorophenyl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406129
SMILES COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)Nc1ccccc1F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H21FN4O4S MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O4S/c1-26-20(13-10-17-18(11-16(13)28-2)30-9-5-8-29-17)24-25-21(26)31-12-19(27)23-15-7-4-3-6-14(15)22/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,23,27)InChIKey
PGUPCTUTUXWGBH-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC4=C(C=C3OC)OCCCO4
InChI=1SC21H21FN4O4Sc12620(13101718(1116(13)282)309582917)242521(26)311219(27)2315743614(15)22h34671011H58912H212H3(H2327)
MFCD27220727
N(2fluorophenyl)2((5(7methoxy34dihydro2H15benzodioxepin8yl)4methyl124triazol3yl)sulfanyl)acetamide
N(2fluorophenyl)2((5(8methoxy34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000064986931
ZINC64986931
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